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	hartrees
Energy at 0K	-329.632578
Energy at 298.15K	-329.638577
Nuclear repulsion energy	271.658338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3361	3054	0.45
2	A₁	3348	3042	24.02
3	A₁	3324	3020	0.11
4	A₁	1791	1627	67.71
5	A₁	1655	1504	99.07
6	A₁	1365	1240	110.34
7	A₁	1262	1147	8.42
8	A₁	1111	1009	4.08
9	A₁	1085	985	0.22
10	A₁	881	801	28.01
11	A₁	562	511	5.41
12	A₂	1093	993	0.00
13	A₂	929	844	0.00
14	A₂	464	421	0.00
15	B₁	1108	1007	0.10
16	B₁	1012	919	12.50
17	B₁	850	773	91.19
18	B₁	760	690	19.34
19	B₁	563	511	9.30
20	B₁	266	242	0.19
21	B₂	3359	3051	11.01
22	B₂	3334	3029	11.78
23	B₂	1787	1624	15.01
24	B₂	1605	1458	2.51
25	B₂	1441	1309	1.12
26	B₂	1322	1201	0.00
27	B₂	1198	1089	0.05
28	B₂	1154	1049	8.33
29	B₂	672	611	0.15
30	B₂	439	399	3.04

Atom	y (Å)	z (Å)
F1	0.000	2.253
C2	0.000	0.926
C3	1.206	0.261
C4	-1.206	0.261
C5	1.197	-1.124
C6	-1.197	-1.124
C7	0.000	-1.820
H8	2.121	0.823
H9	-2.121	0.823
H10	2.131	-1.657
H11	-2.131	-1.657
H12	0.000	-2.895

	F1	C2	C3	C4	C5	C6	C7	H8	H9	H10	H11	H12
F1		1.3272	2.3287	2.3287	3.5831	3.5831	4.0734	2.5583	2.5583	4.4536	4.4536	5.1482
C2	1.3272		1.3772	1.3772	2.3740	2.3740	2.7462	2.1239	2.1239	3.3490	3.3490	3.8210
C3	2.3287	1.3772		2.4122	1.3851	2.7741	2.4056	1.0742	3.3747	2.1300	3.8494	3.3788
C4	2.3287	1.3772	2.4122		2.7741	1.3851	2.4056	3.3747	1.0742	3.8494	2.1300	3.3788
C5	3.5831	2.3740	1.3851	2.7741		2.3948	1.3852	2.1553	3.8479	1.0754	3.3710	2.1379
C6	3.5831	2.3740	2.7741	1.3851	2.3948		1.3852	3.8479	2.1553	3.3710	1.0754	2.1379
C7	4.0734	2.7462	2.4056	2.4056	1.3852	1.3852		3.3895	3.3895	2.1373	2.1373	1.0748
H8	2.5583	2.1239	1.0742	3.3747	2.1553	3.8479	3.3895		4.2429	2.4808	4.9232	4.2809
H9	2.5583	2.1239	3.3747	1.0742	3.8479	2.1553	3.3895	4.2429		4.9232	2.4808	4.2809
H10	4.4536	3.3490	2.1300	3.8494	1.0754	3.3710	2.1373	2.4808	4.9232		4.2622	2.4644
H11	4.4536	3.3490	3.8494	2.1300	3.3710	1.0754	2.1373	4.9232	2.4808	4.2622		2.4644
H12	5.1482	3.8210	3.3788	3.3788	2.1379	2.1379	1.0748	4.2809	4.2809	2.4644	2.4644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F1	C2	C3	118.864	F1	C2	C4	118.864
C2	C3	C5	118.505	C2	C3	H8	119.582
C2	C4	C6	118.505	C2	C4	H9	119.582
C3	C2	C4	122.272	C3	C5	C7	120.538
C3	C5	H10	119.386	C4	C6	C7	120.538
C4	C6	H11	119.386	C5	C3	H8	121.914
C5	C7	C6	119.644	C5	C7	H12	120.178
C6	C4	H9	121.914	C6	C7	H12	120.178
C7	C5	H10	120.077	C7	C6	H11	120.077

All results from a given calculation for C₆H₅F (Fluorobenzene)

using model chemistry: HF/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	F	-0.313
2	C	0.340
3	C	-0.154
4	C	-0.154
5	C	-0.083
6	C	-0.083
7	C	-0.111
8	H	0.119
9	H	0.119
10	H	0.108
11	H	0.108
12	H	0.103

<r²>	179.348
(<r²>)^1/2	13.392

All results from a given calculation for C6H5F (Fluorobenzene)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₆H₅F (Fluorobenzene)